N-苄基去甲托品醇 | 18717-73-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: N-苄基去甲托品醇
• 中文别名: 8-苯基-8-氮杂双环[3.2.1]辛烷-3-酚
• 英文名称: 8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
• 英文别名: N-Benzylnortropine；(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
• CAS: 18717-73-2
• 化学式: C₁₄H₁₉NO
• mdl: MFCD09966164
• 分子量: 217.311
• InChiKey: HCBGIBWAPOFRKI-PBWFPOADSA-N

物化性质

• 熔点：
  90 °C
• 沸点：
  353.7±22.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 储存条件：
  2-8℃

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: N-Benzylnortropine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

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Section 3. Composition/information on ingredients.
Ingredient name: N-Benzylnortropine
CAS number: 18717-73-2

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Section 4. First aid measures
Skin contact: Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact: Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation: Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion: Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

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Section 5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

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Section 6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution: Wear approved mask/respirator
Hand precaution: Wear suitable gloves/gauntlets
Skin protection: Wear suitable protective clothing
Eye protection: Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

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Section 7. Handling and storage
Handling: This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels, refrigerated.
Storage:

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Section 8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

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Section 9. Physical and chemical properties
Appearance: Not specified
Boiling point: No data
No data
Melting point:
Flash point: No data
Density: No data
Molecular formula: C14H19NO
Molecular weight: 217.3

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Section 10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

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Section 14. Transportation information
Non-harzardous for air and ground transportation.

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Section 15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  N-苄基去甲托品醇 、 碳酸二叔丁酯 在 palladium 10% on activated carbon 甲酸铵 、 盐酸 、 三乙胺 作用下， 以 乙醇 、 乙醚 、 水 、 甲醇 为溶剂， 反应 4.0h， 以93%的产率得到(1R,3s,5S)-叔丁基3-羟基-8-氮杂双环[3.2.1]辛烷-8-羧酸
  参考文献：
  名称：

  EP1403255

  摘要：

  公开号：
• 作为产物：
  描述：

  N-benzylnortropinone 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 1.0h， 以95%的产率得到N-苄基去甲托品醇
  参考文献：
  名称：

  [EN] INDOLYLPYRIMIDINES AS MODULATORS OF GPR119
  [FR] COMPOSÉS INDOLYLPYRIMIDINES EN TANT QUE MODULATEURS DE GPR119

  摘要：

  本发明涉及一种化合物（I）的公式，该化合物对于治疗、预防和/或管理由GPR119受体活性调节的疾病、紊乱、综合征或病况是有用的。该发明还涉及制备这些化合物的方法、其药物组合物。此外，该发明还涉及利用单独或以公式（I）的组合物治疗、预防和/或管理与GPR119受体调节相关的疾病、紊乱、综合征或病况的方法。

  公开号：

  WO2012025811A1

文献信息

• HETEROARYL DERIVATIVES
  申请人：CHIESI FARMACEUTICI S.P.A.

  公开号：US20150158858A1

  公开（公告）日：2015-06-11

  Compounds of formula (I) described herein are both phosphodiesterase 4 (PDE4) enzyme inhibitors and muscarinic M3 receptor antagonists and are useful for the prevention and/or treatment of diseases of the respiratory tract characterized by airway obstruction.

  本文描述的化合物（I）的化学式既是磷酸二酯酶4（PDE4）酶抑制剂，又是毒蕈碱M3受体拮抗剂，可用于预防和/或治疗呼吸道疾病，其特征是气道阻塞。
• HETEROARYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASES
  申请人：Chiesi Farmaceutici S.p.A.

  公开号：EP3077385B1

  公开（公告）日：2017-10-04
• US9133185B2
  申请人：——

  公开号：US9133185B2

  公开（公告）日：2015-09-15